HNT
概要
| 表記: | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL |
| 別名: | 3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE |
| 組成式: | C10 H12 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 208.214 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol |
| OpenEye OEToolkits | 1.5.0 | [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc2c(c1)CNC(C2)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC[CH]1Cc2ccc(cc2CN1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1[N+](=O)[O-])CNC(C2)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | RNUCRXHRBPLYTA-SECBINFHSA-N |
